SCHEMBL551834

SCHEMBL551834

C=C(C)C#CC(C)(C)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11651662 0.74
SCHEMBL6900304 0.74
SCHEMBL552056 0.74 ALOX15 (0.34)
SCHEMBL11469654 0.71
SCHEMBL29648043 0.71
SCHEMBL190199 0.69 ALDH1A1 (0.33)
SCHEMBL6259572 0.69
SCHEMBL25242685 0.68
SCHEMBL24418195 0.67
SCHEMBL25282111 0.67 TDP1 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120935-B2 Hydrosilylation reaction inhibitors, and use thereof for preparing stable curable silicone compositions BLUESTAR SILICONES FRANCE SAS (FR) 2015-09-01 US claimed
US-20140329099-A1 HYDROSILYLATION REACTION INHIBITORS, AND USE THEREOF FOR PREPARING STABLE CURABLE SILICONE COMPOSITIONS BLUESTAR SILICONES FRANCE (FR) 2014-11-06 US claimed
EP-2723816-A1 HYDROSILYLATION REACTION INHIBITORS, AND USE THEREOF FOR PREPARING STABLE CURABLE SILICONE COMPOSITIONS Bluestar Silicones France (FR) 2014-04-30 EP claimed
WO-2012175825-A1 HYDROSILYLATION REACTION INHIBITORS, AND USE THEREOF FOR PREPARING STABLE CURABLE SILICONE COMPOSITIONS BLUESTAR SILICONES FRANCE (FR) 2012-12-27 WO claimed
US-6568537-B1 A frother mixture comprising dimethyl(isopropenylethynyl)carbinol, tetramethylbutynediol, diisopropenylacetylene, 2,5-dimethyl-1,4-hexadien-3-one; treating metal ores, and coal Zakrtoe Aktsionermoe Obschestvo “Strimer - Tsentr” (RU) 2003-05-27 US claimed
US-4081468-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1978-03-28 US claimed
US-20220380547-A1 THERMAL INTERFACE MATERIALS AND METHODS FOR APPLICATION HENKEL AG & CO. KGAA (DE) 2022-12-01 US disclosed
EP-4061907-A1 THERMAL INTERFACE MATERIALS AND METHODS FOR APPLICATION Henkel AG & Co. KGaA (DE) 2022-09-28 EP disclosed
WO-2021102149-A1 THERMAL INTERFACE MATERIALS AND METHODS FOR APPLICATION Henkel IP & Holding GmbH (DE) 2021-05-27 WO disclosed
US-9120935-B2 Hydrosilylation reaction inhibitors, and use thereof for preparing stable curable silicone compositions BLUESTAR SILICONES FRANCE SAS (FR) 2015-09-01 US disclosed
US-20140329099-A1 HYDROSILYLATION REACTION INHIBITORS, AND USE THEREOF FOR PREPARING STABLE CURABLE SILICONE COMPOSITIONS BLUESTAR SILICONES FRANCE (FR) 2014-11-06 US disclosed
US-8110695-B2 Compounds and compositions containing silicon and/or other heteroatoms and/or metals and methods of making and using them WELKER MARK E (US) 2012-02-07 US disclosed
US-8110695-B2 Compounds and compositions containing silicon and/or other heteroatoms and/or metals and methods of making and using them WELKER MARK E (US) 2012-02-07 US disclosed
US-6568537-B1 A frother mixture comprising dimethyl(isopropenylethynyl)carbinol, tetramethylbutynediol, diisopropenylacetylene, 2,5-dimethyl-1,4-hexadien-3-one; treating metal ores, and coal Zakrtoe Aktsionermoe Obschestvo “Strimer - Tsentr” (RU) 2003-05-27 US disclosed
US-6568537-B1 A frother mixture comprising dimethyl(isopropenylethynyl)carbinol, tetramethylbutynediol, diisopropenylacetylene, 2,5-dimethyl-1,4-hexadien-3-one; treating metal ores, and coal Zakrtoe Aktsionermoe Obschestvo “Strimer - Tsentr” (RU) 2003-05-27 US disclosed
EP-1189981-A1 ORGANOSILICON COMPOSITION DOW CORNING S.A. (BE) 2002-03-27 EP disclosed
WO-2000073376-A1 ORGANOSILICON COMPOSITION DOW CORNING S.A. (BE) 2000-12-07 WO disclosed
EP-0751140-A2 Ene-yne unsaturated compounds as accelerators for hydrosilation DOW CORNING CORPORATION (US) 1997-01-02 EP disclosed
US-5493045-A SILICON HYDRIDE IS REACTED WITH AN UNSATURATED COMPOUND INPRESENCE OF PLATIMUM CATALYST DOW CORNING CORPORATION (US) 1996-02-20 US disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 US disclosed